个人简介

Education B.S. Chemistry, Seoul National University, Korea, 1972 M.S. Chemistry, Seoul National University, Korea, 1974 Ph.D. Chemistry, University of Pittsburgh, USA, 1986 Research Experiences Postdoctoral Fellow, Duke University, USA, 1979 Postdoctoral Fellow, UC Berkeley, USA, 1980 Visiting Professor, UC Berkeley, USA, 1980

研究领域

PHYS/THEO

Current Research Interests Our research efforts are devoted to the elucidation of the 3D structures of proteins and the development of new computational tools for structure-based drug design. Structural studies using X-ray crystallographic and modeling techniques are focused on the therapeutically important proteins and their complexes with ligands. The development of a new virtual screening method and protein structure/cheminformatic databases is in progress. Our virtual screening system is unique in that it is based on the accurate, efficient flexible molecular superposition method, and can be used for both structure-based virtual screening and ADME/Tox prediction tools.

近期论文

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Overexpression, Purification, Crystallization and Preliminary X-ray Crystallographic Analysis of the C-terminal Domain of the GyrA Subunit of DNA Gyrase from Staphylococcus Aureus Strain Mu50. Tae-O Kim, Ha Yun Jung, Soo Young Lee, Dong-Won Im, Wanchul Shin, Yong-Seok Heo, Acta Crystallographica Section F - Structural Biology Communications 67(2), pp.277-279 (2011) Cloning, Purification, Crystallization and Preliminary X-ray Crystallographic Analysis of the N-terminal Domain of DEAD-box RNA Helicase from Staphylococcus Aureus Strain Mu50. Soo Young Lee, Ha Yun Jung, Tae-O Kim, Dong-Won Im, Ki-Young You, Jang-Mi Back, Yangmee Kim, Hak Jun Kim, Wanchul Shin, Yong-Seok Heo, Acta Crystallographica Section F - Structural Biology Communications 66(12), pp.1674-1676 (2010) Binary Image Representation of a Ligand Binding Site: Its Application to Efficient Sampling of a Conformational Ensemble. Edon Sung, Sangsoo Kim, Wanchul Shin, BMC Bioinformatics 11(1), pp.256-269 (2010) Flexible Alignment of Small Molecules Using the Penalty Method. Wanchul Shin, Seung Ah Hyun, Chong Hak Chae, Jae Kyung Chon, Journal of Chemical Information and Modeling 49(8), pp.1879-1888 (2009) Conformational Flexibility in Mammalian 15S-lipoxygenase: Reinterpretation of the Crystallographic Data. Jongkeun Choi, Jae Kyung Chon, Sangsoo Kim, Wanchul Shin, Proteins - Structure, Function and Bioinformatics 70(3), pp.1023-1032 (2008) Crystal Structure of the C107S/C112S Mutant of Yeast Nuclear 2-Cys Peroxiredoxin. Jongkeun Choi, Soonwoong Choi, Jae Kyung Chon, Jungwon Choi, Mee-Kyung Cha, Il-Han Kim, Wanchul Shin, Proteins - Structure, Function and Bioinformatics 61(4), pp.1146-1149 (2005) Crystallization and Preliminary X-ray Analysis of a Truncated Mutant of Yeast Nuclear Thiol Peroxidase, a Novel Atypical 2-Cys Peroxiredoxin. Jongkeun Choi, Soonwoong Choi, Jungwon Choi, Mee-Kyung Cha, Il-Han Kim, Wanchul Shin, Acta Crystallographica Section F - Structural Biology Communications 61(7), pp.659-662 (2005) Classification of Peroxiredoxin Subfamilies Using Regular Expressions. Jae Kyung Chon, Jongkeun Choi, Sang Soo Kim, Wanchul Shin, Genomics & Informatics 3(2), pp.55-60 (2005) Novel Receptor Surface Approach for 3D-QSAR: The Weighted Probe Interaction Energy Method. Chong Hak Chae, Sung-Eun Yoo, Wanchul Shin, Journal of Chemical Information and Computer Sciences 44(5), pp.1774-1787 (2004) Computer Modeling of the Rhamnogalacturonase-'Hairy' Pectin Complex. Jongkeun Choi, Beom Hyoung Lee, Chong Hak Chae, Wanchul Shin, Proteins - Structure, Function and Bioinformatics 55(1), pp.22-33 (2004) Crystal Structure of Escherichia coli Thiol Peroxidase in the Oxidized State: Insights into Intramolecular Disulfide Formation and Substrate Binding in Atypical 2-cys Peroxiredoxins. Jongkeun Choi, Soonwoong Choi, Jungwon Choi, Mee-Kyung Cha, Il-Han Kim, Wanchul Shin, Journal of Biological Chemistry 278(49), pp.49478-49486 (2003) Crystallization and Preliminary X-ray Analysis of Escherichia Coli p20, a Novel Thiol Peroxidase. Jongkeun Choi, Soonwoong Choi, Jungwon Choi, Mee-Kyung Cha, Il-Han Kim, Wanchul Shin, Acta Crystallographica Section D - Biological Crystallography D59(6), pp.1064-1066 (2003) The X-ray Structure of Aspergillus aculeatus Polygalacturonase and a Modeled Structure of the Polygalacturonase-Octagalacturonate Complex. Sang Woo Cho, Seungho Lee, Wanchul Shin, Journal of Molecular Biology 311(4), pp.863-878 (2001) Structure of Aspergillopepsin I from Aspergillus phoenicis: Variations of the S1-S2 Subsite in Aspartic Proteinases. S. W. Cho, N. Kim, M.-U. Choi, Wanchul Shin, Acta Crystallographica Section D - Biological Crystallography D57(7), pp.948-956 (2001) Flexible Molecular Superposition: Development of a Combined Similarity Index and Application of the Constrained Optimization Technique. Chong Hak Chae, Dong-Gweon Oh, Wanchul Shin, Journal of Computational Chemistry 22(8), pp.888-900 (2001) Cis-[(4R,5R)-4,5-Bis(aminomethyl)-2,2-Dimethyl-1,3-Dioxolane-N,N] (Malonato-O,O)Platinum(II), an Anticancer Agent. Sang Woo Cho, Yongkee Cho, Dai-Kee Kim, Wanchul Shin, Acta Crystallographica Section C- Crystal Structure Communications C56(6), pp.653-654 (2000) Overexpression, Crystallization and Preliminary X-ray Crystallographic Analysis of Dihydrofolate Reductase from Bacteriophage T4. Yun Kyung Oh, Jin Ho Moon, Jae Young Lee, Sang Woo Cho, Wanchul Shin, Se Won Suh, Acta Crystallographica Section D - Biological Crystallography D56(6), pp.775-777 (2000) Crystal Structure of cis-(Malonato)[(4R,5R)-4,5-bis(Aminomethyl)-2-Isopropyl-1,3-Dioxolane]Platinum(II), A potent Anticancer Agent. Sang Woo Cho, Yongkee Cho, Dai-Kee Kim, Wanchul Shin, Korean Journal of Crystallography 11(1), pp.22-27 (2000) (1R,2R)-(-)-[Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediamine]chloromanganese(III), an (R,R)-Jacobsen catalyst. J. W. Yoon, T.-S. Yoon, S. W. Lee, Wanchul Shin, Acta Crystallographica Section C- Crystal Structure Communications 55(11), pp.1766-1769 (1999) A Non-peptide Angiotensin II Receptor antagonist: 2-butyl-6-methyl-5-(1-oxopyrid-2-yl)-1-{[2-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1H-imidazo[5,4-b]pyridine Methanol Solvate. Y.-S. Heo, K. Y. Yi, S. E. Yoo, Wanchul Shin, Acta Crystallographica Section C- Crystal Structure Communications 55(8), pp.1345-1347 (1999)